N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C17H18N2S — CID 4832919

IUPACN-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1ccc(NC2=NCC(c3ccccc3)S2)cc1
InChIInChI=1S/C17H18N2S/c1-2-13-8-10-15(11-9-13)19-17-18-12-16(20-17)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKeyZKUXVDGYMKPMBR-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.51
Rot. Bonds3

About N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 4832919) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID4832919
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1ccc(NC2=NCC(c3ccccc3)S2)cc1
InChIInChI=1S/C17H18N2S/c1-2-13-8-10-15(11-9-13)19-17-18-12-16(20-17)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKeyZKUXVDGYMKPMBR-UHFFFAOYSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 4832919) is N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CCc1ccc(NC2=NCC(c3ccccc3)S2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZKUXVDGYMKPMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-13-8-10-15(11-9-13)19-17-18-12-16(20-17)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 4832919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).